N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide

C18H16BrFN4O3S — CID 156601409

IUPACN-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H16BrFN4O3S/c1-10-17(11(2)23-22-10)28(26,27)24-14-6-3-12(4-7-14)18(25)21-16-8-5-13(19)9-15(16)20/h3-9,24H,1-2H3,(H,21,25)(H,22,23)
InChIKeyJBYFPGKREJEKIX-UHFFFAOYSA-N
MW467.32 g/mol
LogP3.98
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide

N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 156601409) has the molecular formula C18H16BrFN4O3S and a molecular weight of 467.32 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
PubChem CID156601409
Molecular FormulaC18H16BrFN4O3S
Molecular Weight467.32 g/mol
Exact Mass466.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H16BrFN4O3S/c1-10-17(11(2)23-22-10)28(26,27)24-14-6-3-12(4-7-14)18(25)21-16-8-5-13(19)9-15(16)20/h3-9,24H,1-2H3,(H,21,25)(H,22,23)
InChIKeyJBYFPGKREJEKIX-UHFFFAOYSA-N
XLogP3.98
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851629
N-(4-bromo-3-methylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
CID 16000295
N-(2,3-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
CID 156601408
4-({[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}amino)benzamide
CID 45494151
N-(3,4-difluorophenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 49659499
N-(3,5-dimethylphenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide
CID 15996278
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide
CID 15996776
N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4801105
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 18287100
3-(4-bromophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-1H-pyrazole-5-carboxamide
CID 24677240
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 36467375
N-(4-fluorophenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 49659498

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide (CID 156601409) is N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is JBYFPGKREJEKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O3S/c1-10-17(11(2)23-22-10)28(26,27)24-14-6-3-12(4-7-14)18(25)21-16-8-5-13(19)9-15(16)20/h3-9,24H,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide?
N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 467.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 156601409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).